| SpectraBase Compound ID | DJPLusqFlHO |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-4-16-13(15)11-7-5-6-10(8-14)12(11)9(2)3/h5-7,9H,4H2,1-3H3 |
| InChIKey | UQMJBBFJALVVKB-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BY6d5kiTJgf |
|---|---|
| Name | 3-Cyano-2-isopropylbenzoic Acid Ethyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-4-16-13(15)11-7-5-6-10(8-14)12(11)9(2)3/h5-7,9H,4H2,1-3H3 |
| InChIKey | UQMJBBFJALVVKB-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | c1(c(c(C#N)ccc1)C(C)C)C(=O)OCC |
| SPLASH | splash10-05fu-3900000000-1a7b632a329269535c6f |
| Source of Spectrum | F4-42-2676-6i |
| Wiley ID | 1674309 |